N-(3-methoxyphenyl)-1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(3-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide CAS Name: N-(3-methoxyphenyl)-1-methyl-6-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5-pyrimidinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimidine-5-carboxamide Traditional Name: 6-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N-(3-methoxyphenyl)-1-methyl-pyrimidine-5-carboxamide Formula: C25H27N5O4S MolecularWeight: 493.57798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27N5O4S/c1-28-24(33)21(23(32)27-18-7-6-10-20(15-18)34-2)16-26-25(28)35-17-22(31)30-13-11-29(12-14-30)19-8-4-3-5-9-19/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,32)